[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

C21H26N2O2 — CID 60536898

IUPAC[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C)c(CNc2ccccc2C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C21H26N2O2/c1-15-9-10-16(2)17(12-15)13-22-20-8-4-3-7-19(20)21(25)23-11-5-6-18(24)14-23/h3-4,7-10,12,18,22,24H,5-6,11,13-14H2,1-2H3
InChIKeyBDUWFMIVUFTZQN-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.51
Rot. Bonds4

About [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 60536898) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID60536898
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C)c(CNc2ccccc2C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C21H26N2O2/c1-15-9-10-16(2)17(12-15)13-22-20-8-4-3-7-19(20)21(25)23-11-5-6-18(24)14-23/h3-4,7-10,12,18,22,24H,5-6,11,13-14H2,1-2H3
InChIKeyBDUWFMIVUFTZQN-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
4-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 60536693
2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 164632184
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
7-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60536669
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 60536898) is [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is Cc1ccc(C)c(CNc2ccccc2C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is BDUWFMIVUFTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-10-16(2)17(12-15)13-22-20-8-4-3-7-19(20)21(25)23-11-5-6-18(24)14-23/h3-4,7-10,12,18,22,24H,5-6,11,13-14H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 60536898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).